[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine

C12H16BrN5O — CID 106466158

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(Br)nnn2C)cc1C
InChIInChI=1S/C12H16BrN5O/c1-7-6-8(4-5-9(7)19-3)10(15-14)11-12(13)16-17-18(11)2/h4-6,10,15H,14H2,1-3H3
InChIKeyYHDSDTLNBBFUTB-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.45
Rot. Bonds4

About [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine (PubChem CID 106466158) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
PubChem CID106466158
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(Br)nnn2C)cc1C
InChIInChI=1S/C12H16BrN5O/c1-7-6-8(4-5-9(7)19-3)10(15-14)11-12(13)16-17-18(11)2/h4-6,10,15H,14H2,1-3H3
InChIKeyYHDSDTLNBBFUTB-UHFFFAOYSA-N
XLogP1.45
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
N-[(5-bromo-3-methyltriazol-4-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 106465091
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681
[(4-chlorophenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258369
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106466707
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine (CID 106466158) is [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine is COc1ccc(C(NN)c2c(Br)nnn2C)cc1C.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine?
The InChIKey is YHDSDTLNBBFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-7-6-8(4-5-9(7)19-3)10(15-14)11-12(13)16-17-18(11)2/h4-6,10,15H,14H2,1-3H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine has a molecular weight of 326.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 106466158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).